(2-azanyl-6-ethyl-4-piperidin-1-yl-pyrimidin-1-ium-1-yl) hydrogen sulfate

Systemtic Name: (2-azanyl-6-ethyl-4-piperidin-1-yl-pyrimidin-1-ium-1-yl) hydrogen sulfate Openeye Name: [2-amino-6-ethyl-4-(1-piperidyl)pyrimidin-1-ium-1-yl] hydrogen sulfate CAS Name: sulfuric acid [2-amino-6-ethyl-4-(1-piperidinyl)-1-pyrimidin-1-iumyl] ester IUPAC Name: (2-amino-6-ethyl-4-piperidin-1-ylpyrimidin-1-ium-1-yl) hydrogen sulfate Traditional Name: sulfuric acid (2-amino-6-ethyl-4-piperidino-pyrimidin-1-ium-1-yl) ester Formula: C11H19N4O4S+ MolecularWeight: 303.35796

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCC2

Isomeric SMILES

CCC1=CC(=NC(=[N+]1OS(=O)(=O)O)N)N2CCCCC2

InChI

InChI=1S/C11H18N4O4S/c1-2-9-8-10(14-6-4-3-5-7-14)13-11(12)15(9)19-20(16,17)18/h8,12H,2-7H2,1H3,(H,16,17,18)/p+1